General Information of the Compound
| Compound ID |
CP0876335
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| Compound Name |
N-((4'-(4-Amino-5-oxo-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-6(5H)-yl)-2-chlorobiphenyl-4-yl)methyl)acetamide
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| Structure |
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| Formula |
C22H20ClN5O3
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| Molecular Weight |
437.887
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| Canonical SMILES |
CC(=O)NCc1ccc(-c2ccc(N3CCOc4ncnc(N)c4C3=O)cc2)c(Cl)c1
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| InChI |
InChI=1S/C22H20ClN5O3/c1-13(29)25-11-14-2-7-17(18(23)10-14)15-3-5-16(6-4-15)28-8-9-31-21-19(22(28)30)20(24)26-12-27-21/h2-7,10,12H,8-9,11H2,1H3,(H,25,29)(H2,24,26,27)
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| InChIKey |
BALRMJVERSQQLD-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound